1-[(6-tert-butyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine

C13H20N2O — CID 134595533

IUPAC1-[(6-tert-butyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine
SMILESCC(C)(C)c1ccc(OCC2(N)CC2)cn1
InChIInChI=1S/C13H20N2O/c1-12(2,3)11-5-4-10(8-15-11)16-9-13(14)6-7-13/h4-5,8H,6-7,9,14H2,1-3H3
InChIKeyMPFIJZINHJPNFK-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.25
Rot. Bonds3

About 1-[(6-tert-butyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine

1-[(6-tert-butyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine (PubChem CID 134595533) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[(6-tert-butyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(6-tert-butyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine
PubChem CID134595533
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[(6-tert-butyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine
SMILESCC(C)(C)c1ccc(OCC2(N)CC2)cn1
InChIInChI=1S/C13H20N2O/c1-12(2,3)11-5-4-10(8-15-11)16-9-13(14)6-7-13/h4-5,8H,6-7,9,14H2,1-3H3
InChIKeyMPFIJZINHJPNFK-UHFFFAOYSA-N
XLogP2.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-tert-butyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine?
The IUPAC name of 1-[(6-tert-butyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine (CID 134595533) is 1-[(6-tert-butyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(6-tert-butyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(6-tert-butyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine is CC(C)(C)c1ccc(OCC2(N)CC2)cn1.
What is the InChIKey of 1-[(6-tert-butyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine?
The InChIKey is MPFIJZINHJPNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-12(2,3)11-5-4-10(8-15-11)16-9-13(14)6-7-13/h4-5,8H,6-7,9,14H2,1-3H3.
What are the key properties of 1-[(6-tert-butyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine?
1-[(6-tert-butyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-tert-butyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine is sourced from PubChem (CID 134595533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).